(2-decoxy-2-oxidanylidene-ethyl)-diethyl-[(Z)-3-methyl-4-(4-methylphenyl)but-2-enyl]azanium chloride

Systemtic Name: (2-decoxy-2-oxidanylidene-ethyl)-diethyl-[(Z)-3-methyl-4-(4-methylphenyl)but-2-enyl]azanium chloride Openeye Name: (2-decoxy-2-oxo-ethyl)-diethyl-[(Z)-3-methyl-4-(p-tolyl)but-2-enyl]ammonium chloride CAS Name: (2-decoxy-2-oxoethyl)-diethyl-[(Z)-3-methyl-4-(4-methylphenyl)but-2-enyl]ammonium chloride IUPAC Name: (2-decoxy-2-oxoethyl)-diethyl-[(Z)-3-methyl-4-(4-methylphenyl)but-2-enyl]azanium chloride Traditional Name: (2-decoxy-2-keto-ethyl)-diethyl-[(Z)-3-methyl-4-(p-tolyl)but-2-enyl]ammonium chloride Formula: C28H48ClNO2 MolecularWeight: 466.13922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C[N+](CC)(CC)CC=C(C)CC1=CC=C(C=C1)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCOC(=O)C[N+](CC)(CC)C/C=C(/C)\CC1=CC=C(C=C1)C.[Cl-]

InChI

InChI=1S/C28H48NO2.ClH/c1-6-9-10-11-12-13-14-15-22-31-28(30)24-29(7-2,8-3)21-20-26(5)23-27-18-16-25(4)17-19-27;/h16-20H,6-15,21-24H2,1-5H3;1H/q+1;/p-1/b26-20-;